KEGG   DRUG: Vitamin B12
Entry
D00191                      Drug                                   
Name
Vitamin B12;
Nascobal (TN)
Formula
C62H88CoN13O14PR
Structure
Simcomp
Remark
Same as: C05776
Efficacy
Supplement (vitamin B12)
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Cyanocobalamin
    D00191  Vitamin B12
Other DBs
PubChem: 7847259
ChEBI: 28911
LinkDB
KCF data

ATOM        92
            1   Z   Co   28.7000  -14.9800 #+
            2   N2x N    27.3700  -13.7200
            3   N1y N    27.3700  -16.3800
            4   N2x N    30.1000  -13.7900
            5   N2x N    30.1000  -16.3800
            6   N5x N    30.8700  -25.1300
            7   C1z C    26.1800  -13.9300
            8   C2y C    27.6500  -12.5300
            9   C1y C    26.1800  -16.2400
            10  C2y C    27.5800  -17.6400
            11  C2y C    29.8200  -12.5300
            12  C2y C    31.3600  -13.8600
            13  C2y C    29.8200  -17.5700
            14  C2y C    31.2900  -16.1700
            15  C8y C    31.9900  -25.4800
            16  C8x C    30.1000  -26.1100
            17  C1z C    25.6200  -12.8100
            18  C1a C    24.9900  -14.2800
            19  C1y C    26.5300  -11.9700
            20  C2y C    28.7000  -12.1100
            21  C1y C    25.6200  -17.2900
            22  C1z C    26.5300  -18.2000
            23  C2y C    28.7000  -18.0600
            24  C1z C    30.9400  -11.9700
            25  C1y C    31.8500  -12.7400
            26  C2x C    31.7800  -15.0500
            27  C1y C    30.9400  -18.1300
            28  C1z C    31.8500  -17.2900
            29  C8y C    31.9900  -26.7400
            30  C8x C    33.0400  -24.9200
            31  N4y N    30.8700  -27.0900
            32  C1b C    22.7500  -12.8100
            33  C1a C    25.2700  -11.6200
            34  C1b C    26.5300  -10.7100
            35  C1a C    28.7000  -10.8500
            36  C1b C    24.2900  -17.4300
            37  C1b C    26.1100  -20.3700
            38  C1a C    27.3700  -20.9300
            39  C1a C    28.7000  -19.3200
            40  C1b C    30.9400  -10.7100
            41  C1a C    29.5400   -9.5900
            42  C1b C    33.1100  -12.7400
            43  C1b C    31.0800  -19.3900
            44  C1a C    33.0400  -17.0100
            45  C1a C    32.2700  -18.4800
            46  C8x C    33.0400  -27.3000
            47  C8y C    34.0900  -25.4800
            48  C1y C    25.2700  -29.2600
            49  C5a C    22.1200  -11.7600
            50  C1b C    25.4800  -10.0800
            51  C5a C    23.8700  -18.6200
            52  C1b C    24.9200  -20.7200
            53  C5a C    31.9900  -10.0800
            54  C1b C    33.6700  -11.6900
            55  C1b C    32.5500  -19.7400
            56  C8y C    34.0900  -26.7400
            57  C1a C    35.1400  -24.9200
            58  C1y C    24.8500  -28.0700
            59  O2x O    24.2200  -29.8900
            60  N1a N    20.9300  -11.6900
            61  O5a O    22.7500  -10.6400
            62  C5a C    25.4800   -8.8200
            63  N1a N    22.6100  -18.7600
            64  O5a O    24.6400  -19.5300
            65  C5a C    24.9200  -21.9800
            66  N1a N    31.9900   -8.8200
            67  O5a O    33.0400  -10.7100
            68  C5a C    34.9300  -11.6900
            69  C5a C    32.9700  -21.1400
            70  C1a C    35.1400  -27.3000
            71  C1y C    23.6600  -28.0700
            72  O1a O    25.6200  -27.1600
            73  C1y C    23.2400  -29.2600
            74  N1a N    24.4300   -8.1900
            75  O5a O    26.5300   -8.1900
            76  N1b N    23.8700  -22.6100
            77  O5a O    25.9700  -22.6100
            78  N1a N    35.5600  -10.5700
            79  O5a O    35.5600  -12.7400
            80  N1a N    31.9200  -21.8400
            81  O5a O    34.0900  -21.6300
            82  O2b O    22.9600  -27.0900
            83  C1b C    22.0500  -29.6800
            84  C1b C    23.8700  -23.8700
            85  P1b P    21.5600  -26.4600
            86  O1a O    21.7700  -30.9400
            87  C1c C    22.7500  -24.5700
            88  O2b O    22.7500  -25.8300
            89  O1c O    20.4400  -25.8300 #-
            90  O1c O    20.6500  -27.4400
            91  C1a C    21.6300  -23.8700
            92  R   R    33.8100  -14.4200
BOND        99
            1     1   3 1
            2     2   7 1
            3     2   8 2
            4     3   9 1
            5     3  10 1
            6     4  11 1
            7     4  12 2
            8     5  13 2
            9     5  14 1
            10    6  15 1
            11    6  16 2
            12    7  17 1
            13    7  18 1 #Down
            14    8  19 1
            15    8  20 1
            16    9  21 1
            17   10  22 1
            18   10  23 2
            19   11  24 1
            20   12  25 1
            21   12  26 1
            22   13  27 1
            23   14  28 1
            24   15  29 2
            25   15  30 1
            26   16  31 1
            27   17  32 1 #Up
            28   17  33 1 #Down
            29   19  34 1 #Down
            30   20  35 1
            31   21  36 1 #Up
            32   22  37 1 #Down
            33   22  38 1 #Up
            34   23  39 1
            35   24  40 1 #Up
            36   24  41 1 #Down
            37   25  42 1 #Down
            38   27  43 1 #Down
            39   28  44 1
            40   28  45 1
            41   29  46 1
            42   30  47 2
            43   48  31 1 #Up
            44   32  49 1
            45   34  50 1
            46   36  51 1
            47   37  52 1
            48   40  53 1
            49   42  54 1
            50   43  55 1
            51   46  56 2
            52   47  57 1
            53   48  58 1
            54   48  59 1
            55   49  60 1
            56   49  61 2
            57   50  62 1
            58   51  63 1
            59   51  64 2
            60   52  65 1
            61   53  66 1
            62   53  67 2
            63   54  68 1
            64   55  69 1
            65   56  70 1
            66   58  71 1
            67   58  72 1 #Up
            68   73  59 1
            69   62  74 1
            70   62  75 2
            71   65  76 1
            72   65  77 2
            73   68  78 1
            74   68  79 2
            75   69  80 1
            76   69  81 2
            77   71  82 1 #Up
            78   73  83 1 #Down
            79   76  84 1
            80   82  85 1
            81   83  86 1
            82   84  87 1
            83   85  88 1
            84   85  89 1
            85   85  90 2
            86   87  91 1 #Down
            87    7   9 1
            88   11  20 2
            89   13  23 1
            90   14  26 2
            91   17  19 1
            92   21  22 1
            93   24  25 1
            94   27  28 1
            95   29  31 1
            96   47  56 1
            97   71  73 1
            98   87  88 1
            99    1  92 1

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